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@ARTICLE{Beltramo:49365,
      author       = {Beltramo, G. L. and Shubina, T. E. and Koper, M. T. M.},
      title        = {{O}xidation of {F}ormic {A}cid an {C}arbon {M}onoxide on
                      {G}old {E}lectrodes {S}tudies by {S}urface-{E}nhanced
                      {R}aman {S}pectroscopy and {D}ensity {F}unctional {T}heory},
      journal      = {ChemPhysChem},
      volume       = {6},
      issn         = {1439-4235},
      address      = {Weinheim},
      publisher    = {Wiley-VCH Verl.},
      reportid     = {PreJuSER-49365},
      pages        = {2597 - 2606},
      year         = {2005},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The oxidation of formic acid and carbon monoxide was
                      studied at a gold electrode by a combination of
                      electrochemistry, in situ surface-enhanced Raman
                      spectroscopy (SERS), differential electrochemical mass
                      spectrometry, and first-principles DFT calculations.
                      Comparison of the SERS results and the (field-dependent) DFT
                      calculations strongly suggests that the relevant
                      surface-bonded intermediate during oxidation of formic acid
                      on gold is formate HCOO- ad*. Formate reacts to form carbon
                      dioxide via two pathways: at low potentials, with a nearby
                      water to produce carbon dioxide and a hydronium ion; at
                      higher potentials, with surface-bonded hydroxyl (or oxide)
                      to give carbon dioxide and water. In the former pathway, the
                      rate-determining step is probably related to the reaction of
                      surface-bonded formate with water, as measurements of the
                      reaction order imply a surface almost completely saturated
                      with adsorbate. The potential dependence of the rate of the
                      low-potential pathway is presumably governed by the
                      potential dependence of formate coverage. There is no
                      evidence for CO formation on gold during oxidation of formic
                      acid. The oxidation of carbon monoxide must involve the
                      carboxyhydroxyl intermediate, but SERS measurements do not
                      reveal this intermediate during CO oxidation, most likely
                      because of its low surface coverage, as it is formed after
                      the rate-determining step. Based on inconclusive
                      spectroscopic evidence for the formation of surface-bonded
                      OH at potentials substantially below the surface oxidation
                      region, the question whether surface-bonded carbon monoxide
                      reacts with surface hydroxyl or with water to form
                      carboxyhydroxyl and carbon dioxide remains open. The SERS
                      measurements show the existence of both atop and
                      bridge-bonded CO on gold from two distinguishable
                      low-frequency modes that agree very well with DFT
                      calculations.},
      keywords     = {J (WoSType)},
      cin          = {ISG-4},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB44},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK242},
      shelfmark    = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
                      Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:16331729},
      UT           = {WOS:000234002300021},
      doi          = {10.1002/cphc.200500198},
      url          = {https://juser.fz-juelich.de/record/49365},
}